2,4-Diethylbenzenesulphonic acid
TL;DR: 2,4-Diethylbenzenesulphonic acid (CAS 63877-58-7) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diethylbenzenesulfonic acid
Also Known As: 2,4-diethylbenzenesulfonic acid, 2,4-Diethylbenzenesulphonic acid, 2,4-Diethylbenzene-1-sulfonic acid, EINECS 264-543-7, 2,4-diethylbenzenesulphonicacid
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.0581 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 420.9933 |
Chemical Identifiers
| CAS Number | 63877-58-7 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)S(=O)(=O)O)CC |
Product Overview
2,4-Diethylbenzenesulphonic acid (CAS 63877-58-7), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 2,4-diethylbenzenesulfonic acid.
Chemical Property Profile of 2,4-Diethylbenzenesulphonic acid
Property Insights of 2,4-Diethylbenzenesulphonic acid
The XLogP value of 2.0581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diethylbenzenesulphonic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 2,4-Diethylbenzenesulphonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Diethylbenzenesulphonic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Diethylbenzenesulphonic acid?
The CAS number of 2,4-Diethylbenzenesulphonic acid is 63877-58-7.
What is the molecular formula of 2,4-Diethylbenzenesulphonic acid?
The molecular formula of 2,4-Diethylbenzenesulphonic acid is C10H14O3S.
What is the molecular weight of 2,4-Diethylbenzenesulphonic acid?
The molecular weight of 2,4-Diethylbenzenesulphonic acid is 214.07 g/mol.
Where can I buy 2,4-Diethylbenzenesulphonic acid?
You can request a quote for 2,4-Diethylbenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diethylbenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diethylbenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.